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296273-59-1 | 5-Diethylaminomethyl-furan-3-carboxylic acid
CAS No: 296273-59-1 Catalog No: AG01FARN MDL No:
Product Description
Catalog Number:
AG01FARN
Chemical Name:
5-Diethylaminomethyl-furan-3-carboxylic acid
CAS Number:
296273-59-1
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
5-(diethylaminomethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C10H15NO3/c1-3-11(4-2)6-9-5-8(7-14-9)10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChI Key:
OZEIPEKRWRKJII-UHFFFAOYSA-N
SMILES:
CCN(Cc1occ(c1)C(=O)O)CC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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